SCHEMBL3377975

SCHEMBL3377975

Cn1nnnc1-c1cccc(C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.51
TRPV1 Q8NER1 2/20 0.47
BRD4 O60885 1/20 0.44
MAP2K4 P45985 1/20 0.44
CSF1R P07333 1/20 0.44
FLT1 P17948 1/20 0.44
FLT3 P36888 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 3/20 0.44
PDE2A O00408 2/20 0.44
PDE4D Q08499 2/20 0.44
PDE3A Q14432 1/20 0.44
DHODH Q02127 1/20 0.43
HSD11B1 P28845 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
SYK P43405 1/20 0.43
HIF1A Q16665 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4606303 0.83 CECR2 (0.47) TRPV1BRD4SMN1; SMN2HSD11B1BAZ2B
SCHEMBL3375136 0.81 ABCC9 (0.50) PARP1BRD4SMN1; SMN2HSD11B1PARP10
SCHEMBL10421098 0.81 CNR2 (0.45) SMN1; SMN2HSD11B1HIF1ANPSR1RXFP1
SCHEMBL3086682 0.79 MAP3K5 (0.52) PARP1BRD4MAP2K4CSF1RFLT1
SCHEMBL4772900 0.79 CCR3 (0.52) SYK
SCHEMBL3073157 0.78 SMN1; SMN2 (0.46) PARP1TRPV1BRD4SMN1; SMN2SYK
SCHEMBL12377870 0.77 L3MBTL1 (0.62) SMN1; SMN2NPSR1
SCHEMBL6706194 0.77 SMN1; SMN2 (0.39) SMN1; SMN2HSD11B1HIF1ANPSR1RXFP1
SCHEMBL3348705 0.77 SMN1; SMN2 (0.44) BRD4SMN1; SMN2PDE4DSYKHIF1A
SCHEMBL584175 0.76 SMN1; SMN2 (0.50) BRD4SMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 PARP1 25/4885TRPV1 4238/4885BRD4 43/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 PARP1 25/4885TRPV1 4238/4885BRD4 43/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.